cyclopentyl acetate - ≥95% , CAS No.933-05-1

CAS: 933-05-1 Cat. No.: C479784 Fórmula: C₇H₁₂O₂ Peso molecular: 128.17

GRADE & PURITY ≥95%

Synonyms

Cyclopentanol, acetate | Acetic acid cyclopentyl ester | AKOS006241141 | SCHEMBL407811 | YFPCLQKFNXUAAK-UHFFFAOYSA- | DTXSID20239370 | EINECS 213-264-9 | 2-CYCLOPENTYL ACETATE | InChI=1/C7H12O2/c1-6(8)9-7-4-2-3-5-7/h7H,2-5H2,1H3 | NSC55885 | NSC-55885 | C

Storage

Room temperature

Specifications

Sinónimos

Cyclopentanol, acetate | Acetic acid cyclopentyl ester | AKOS006241141 | SCHEMBL407811 | YFPCLQKFNXUAAK-UHFFFAOYSA- | DTXSID20239370 | EINECS 213-264-9 | 2-CYCLOPENTYL ACETATE | InChI=1/C7H12O2/c1-6(8)9-7-4-2-3-5-7/h7H,2-5H2,1H3 | NSC55885 | NSC-55885 | C

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(=O)OC1CCCC1
• IUPAC Name: cyclopentyl acetate
• InChIKey: YFPCLQKFNXUAAK-UHFFFAOYSA-N
• INCHI: 1S/C7H12O2/c1-6(8)9-7-4-2-3-5-7/h7H,2-5H2,1H3
• Isómeros SMILES: CC(=O)OC1CCCC1
• Peso molecular: 128.17
• Reaxy-Rn: 2040820
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2040820&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Punto de inflamación (°F): Not applicable
• Punto de inflamación (°C): Not applicable
• Punto de ebullición (°C): 52 - 53 °C
• Peso molecular: 128.169 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 128.084 Da
• Monoisotopic Mass: 128.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 103.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 933-05-1, the molecular formula is C7H12O2, and the molecular weight is 128.17 g/mol. InChIKey YFPCLQKFNXUAAK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.